Information card for entry 4074520

Structure parameters

• Formula: C18 H11 Cr N O5
• Calculated formula: C18 H11 Cr N O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#Cc1[n+](c2c(cc1)cccc2)CC
• Title of publication: Intermetallic Communication through Carbon Wires in Heterobinuclear Cationic Allenylidene Complexes of Chromium
• Authors of publication: Szesni, Normen; Drexler, Matthias; Maurer, Jörg; Winter, Rainer F.; de Montigny, Frédéric; Lapinte, Claude; Steffens, Stefan; Heck, Jürgen; Weibert, Bernhard; Fischer, Helmut
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 5774
• a: 11.502 ± 0.004 Å
• b: 6.147 ± 0.003 Å
• c: 24.67 ± 0.009 Å
• α: 90°
• β: 101.81 ± 0.03°
• γ: 90°
• Cell volume: 1707.3 ± 1.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No